{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P31m" } "basis-atom-coordinates" { "source-value" [ [ 0.62836 0.62836 0.995711 ] [ 0 0.37164 0.995711 ] [ 0.37164 0 0.995711 ] [ 0.666667 0.333333 0.47257 ] [ 0.333333 0.666667 0.47257 ] [ 0.260783 0.260783 0.49809 ] [ 0 0.739217 0.49809 ] [ 0.739217 0 0.49809 ] [ 0.71807 0.186641 0.626556 ] [ 0.813359 0.531429 0.626556 ] [ 0.468571 0.28193 0.626556 ] [ 0.186641 0.71807 0.626556 ] [ 0.531429 0.813359 0.626556 ] [ 0.28193 0.468571 0.626556 ] [ 0.319326 0.319326 0.235407 ] [ 0 0.680674 0.235407 ] [ 0.680674 0 0.235407 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "As" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.70441208161 "source-unit" "angstrom" } "c" { "source-value" 6.2108046 "source-unit" "angstrom" } }